NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3212 8.2493 123.5836 52.5241 20.3229 176.8752 3 C 4.8253 7.5877 110.3269 56.1091 29.0000 173.0467 4 H 4.2933 8.8354 124.9218 59.6474 29.7011 178.1544 5 E 4.0015 8.2566 120.0345 59.3700 29.3512 179.2548 6 L 3.9925 7.8750 118.4052 57.8816 41.8441 179.3727 7 S 4.1263 7.9200 114.5405 61.6819 62.8234 176.7722 8 A 4.0034 8.2710 123.4364 55.1275 18.1702 179.4389 9 L 3.9199 7.9722 118.9272 58.2936 42.0617 179.1892 10 R 3.9260 8.5494 119.1477 59.2970 29.9010 178.6278 11 I 3.6781 7.9513 119.5066 64.2174 37.1149 178.1387 12 A 3.9803 7.9806 121.5570 55.4752 18.2868 179.8660 13 I 3.8423 8.0130 118.3450 64.1814 37.1041 178.9545 14 G 3.6056 8.3374 107.1889 47.9514 0.0000 175.6901 15 E 4.1650 8.4719 121.3771 58.9099 29.1906 179.2234 16 L 4.0626 7.6733 119.3847 57.3372 42.1867 177.9124 17 L 4.4203 7.5158 116.4932 53.2854 41.8877 175.8059 18 E 3.7985 7.9756 118.4073 56.7925 28.6497 174.7916 19 K 4.1670 8.3402 115.6903 55.6229 32.9833 177.3466 20 E 4.1133 8.5435 121.6022 56.0124 30.2060 177.9769 21 A 4.0570 8.7310 123.9365 55.6284 18.0867 179.7222 22 H 4.3499 8.1359 111.9503 58.2175 29.0352 176.7877 23 D 4.4474 7.7346 120.4279 55.6347 41.1286 177.2635 24 L 4.7411 7.2697 119.7865 53.1961 42.2241 177.5075 25 L 3.9369 7.9041 121.6394 59.0016 41.8005 178.3861 26 H 4.1218 8.3810 115.0250 59.0064 28.7833 177.4566 27 E 3.9941 8.2055 119.7026 59.6746 29.2771 179.5882 28 R 4.0916 8.1615 117.9666 59.1921 29.8514 179.0049 29 E 4.0283 8.2657 118.1932 59.2082 29.5602 178.6336 30 E 4.1034 8.3880 118.6890 58.6345 29.9741 178.0936 31 L 4.3113 7.7868 118.4758 56.3064 42.1321 178.4348 32 A 4.0048 7.7346 121.2523 55.0031 18.0373 178.0196 33 P 4.2461 0.0000 0.0000 65.3240 31.7074 178.0072 34 V 4.0750 7.7166 110.5428 61.6314 31.7997 177.8586 35 L 4.0600 7.3661 118.6626 57.7564 41.5161 179.2263 36 G 3.7109 7.9308 104.2780 47.8650 0.0000 175.3380 37 Q 4.3361 7.9656 118.7857 56.8570 30.3627 176.4264 38 R 4.6156 7.8476 118.6977 51.0772 30.8830 173.5873 39 P 4.2265 0.0000 0.0000 65.5744 31.1157 177.2526 40 E 3.9591 8.1926 115.5617 59.7770 29.2092 179.1548 41 L 4.0311 7.8530 119.4736 57.2780 41.6004 179.4263 42 K 4.0007 7.8361 119.2956 59.4747 32.0299 179.0352 43 R 4.0001 7.8783 117.6307 58.8944 30.1051 178.4352 44 L 4.0305 8.0210 120.3791 58.0409 41.9855 178.6798 45 A 4.1186 7.9428 121.5833 54.8274 18.4468 178.0165 46 E 4.4363 7.7617 111.9622 55.8278 30.0819 176.2340 47 A 4.0885 7.9894 123.6322 52.5201 18.7439 177.8701 48 K 4.4636 8.6286 120.7639 56.4353 34.1667 176.9608 49 T 4.7250 7.3757 108.6535 59.0312 72.8723 174.5639 50 L 3.9636 8.3675 122.0634 57.6906 41.6461 178.1716 51 P 4.1917 0.0000 0.0000 65.5357 31.3743 178.5797 52 A 3.9860 7.8039 119.6633 54.8971 18.2270 179.4925 53 L 3.9346 8.0253 119.1842 58.2247 42.0816 179.0577 54 E 3.9663 8.3660 118.8988 59.3168 29.4466 178.8964 55 E 3.8886 8.4054 119.2673 59.2309 29.6748 178.7882 56 A 3.9993 8.0128 120.8913 54.9605 18.3632 179.3835 57 L 3.9151 8.0079 118.9710 58.1416 42.1615 179.0623 58 R 3.8505 8.2079 118.8963 59.4034 29.8002 178.0192 59 E 3.9024 8.1425 118.6548 59.3963 29.6690 178.6119 60 A 4.0379 8.4368 121.1340 55.1704 18.3141 179.6559 61 L 3.9655 8.2542 118.0020 57.8321 41.7669 179.7009 62 L 4.0566 7.8367 119.1800 58.8467 40.2891 179.1302 63 H 4.0954 7.9576 117.4692 58.5295 28.6230 177.3199 64 L 3.8576 7.8503 122.2551 58.1462 41.9635 178.6427 65 E 3.9127 8.4634 119.6643 59.1338 29.5396 178.4511 66 E 3.8459 8.1022 119.3915 59.3144 29.2457 178.8372 67 R 3.6550 8.1788 118.7029 58.9564 29.7218 178.0898 68 A 4.1196 7.5312 119.5582 54.3948 18.6391 178.9920 69 A 4.1240 7.5210 118.3902 55.1041 18.5644 179.5446 70 Q 4.1088 7.8447 116.1742 57.6494 30.3878 176.5181 71 E 4.8487 7.6362 118.3698 53.3447 29.4496 173.9779 72 P 4.4562 0.0000 0.0000 65.5786 32.0761 178.2423 73 E 3.9929 8.1815 114.5225 58.2218 30.1317 176.2027 74 E 4.3316 8.3133 121.6229 54.3353 29.3776 174.6084 75 P 4.3756 0.0000 0.0000 65.5857 31.3750 177.6322 76 Y 4.0318 7.8703 118.0422 60.7809 38.4716 178.4253 77 W 4.5964 7.2845 117.9467 60.2809 29.1338 178.7747 78 R 4.1280 8.1545 117.2856 58.8221 29.7478 179.1491 79 G 3.4763 8.1813 106.1507 47.4663 0.0000 175.6598 80 L 3.7764 8.1197 123.0631 57.6705 42.1053 178.8295 81 L 3.9205 8.0730 120.4558 58.0477 41.9260 178.5544 82 L 3.9260 8.1691 120.3244 58.1819 41.7557 178.9296 83 A 3.9725 7.6356 119.2358 55.1599 18.4691 179.5143 84 V 3.6836 7.9052 116.0602 66.0831 31.8410 177.7681 85 E 4.1520 8.3435 118.2856 59.0443 29.3138 179.7864 86 A 4.2643 7.5436 120.2989 52.3995 17.8911 178.7729 *88 E 4.2634 8.3961 122.5758 57.7358 31.7265 178.0971 89 G 3.6202 8.1768 105.5072 47.8925 0.0000 175.9588 90 R 3.9735 7.9078 119.9713 58.8077 30.0241 178.8564 91 L 3.9493 7.8589 119.7627 58.0659 42.1098 178.9835 92 K 3.9352 8.3831 118.4885 59.4308 31.9902 179.1854 93 A 3.9828 7.9211 120.9799 54.8484 18.2472 179.4174 94 L 3.8783 8.0113 119.0174 58.3600 42.1525 179.2553 95 R 3.8471 8.2111 118.4950 59.3634 30.0228 178.2000 96 A 4.0247 8.2101 120.6867 55.2667 18.3245 179.4877 97 E 3.9171 8.3328 116.8177 59.5211 29.4981 179.4503 98 A 4.0379 7.9568 120.8822 55.0348 18.3382 179.3022 99 E 3.8958 8.6751 118.1178 59.2713 29.6847 178.9317 100 A 3.9897 8.1814 120.8296 55.0766 18.4460 179.2359 101 L 3.8932 7.9424 118.8758 58.4458 41.8665 178.3380 102 Y 4.1162 8.2224 119.4160 61.0069 38.7178 178.2864 103 Q 3.9467 8.4203 118.8177 59.2214 28.8382 178.7102 104 D 4.4070 8.5485 120.1154 57.0645 40.7362 178.8568 105 L 3.9210 8.0446 119.9524 57.8007 41.7454 179.0140 106 D 4.1867 7.5855 116.3479 57.1271 41.1536 178.0423 107 A 3.9606 7.9320 121.3299 55.2155 18.4368 179.3857 108 L 3.9381 8.5079 119.1209 58.3262 41.8326 178.7095 109 H 4.1087 8.1803 118.5897 59.0016 29.9383 177.4406 110 G 3.6808 7.9829 107.0707 48.1121 0.0000 175.7344 111 R 3.9573 7.9899 121.3374 58.5827 29.9830 178.8247 112 L 4.0433 7.9317 119.9886 58.8176 41.9289 178.9990 113 H 4.3691 7.6091 114.3101 58.6228 28.6172 177.6115 114 R 4.0485 7.6285 119.8205 59.3442 30.0450 178.1575 115 L 3.9986 8.0999 117.9824 55.8751 43.0366 177.3257 116 F 4.9418 7.8637 115.8852 54.9607 39.1321 173.2684 117 P 4.5508 0.0000 0.0000 62.8691 31.0688 176.8895 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.25 4.32 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 7.59 4.83 0.00 3.14 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.84 4.29 0.00 3.26 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.26 4.00 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 6 L 7.87 3.99 0.00 1.86 1.73 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.92 4.13 0.00 4.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.27 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.97 3.92 0.00 1.89 1.90 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.55 3.93 0.00 1.96 2.08 0.00 3.15 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 I 7.95 3.68 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.98 0.00 0.00 12 A 7.98 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.01 3.84 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 0.91 0.00 0.00 14 G 8.34 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.47 4.16 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 16 L 7.67 4.06 0.00 1.61 1.89 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.52 4.42 0.00 1.80 1.67 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.98 3.80 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 19 K 8.34 4.17 0.00 1.72 1.70 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.61 1.55 7.81 20 E 8.54 4.11 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 21 A 8.73 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.14 4.35 0.00 3.31 3.46 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.73 4.45 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.27 4.74 0.00 1.62 1.67 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.90 3.94 0.00 1.80 1.79 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.38 4.12 0.00 3.24 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.21 3.99 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 28 R 8.16 4.09 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 29 E 8.27 4.03 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 30 E 8.39 4.10 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 31 L 7.79 4.31 0.00 1.72 1.69 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.73 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.25 0.00 2.24 2.20 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 34 V 7.72 4.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.77 0.00 0.00 35 L 7.37 4.06 0.00 1.74 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.93 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.97 4.34 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.15 0.00 0.00 0.00 0.00 0.00 2.36 2.01 0.00 38 R 7.85 4.62 0.00 1.83 1.99 0.00 3.12 0.00 0.00 3.22 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 39 P 0.00 4.23 0.00 2.13 2.11 0.00 3.56 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 40 E 8.19 3.96 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 41 L 7.85 4.03 0.00 1.91 1.76 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.84 4.00 0.00 1.81 2.00 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.62 7.81 43 R 7.88 4.00 0.00 1.99 1.97 0.00 3.21 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 44 L 8.02 4.03 0.00 1.86 1.84 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.94 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.76 4.44 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 47 A 7.99 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.63 4.46 0.00 1.73 1.84 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.26 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.33 7.81 49 T 7.38 4.72 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 50 L 8.37 3.96 0.00 1.68 1.75 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.19 0.00 2.13 2.06 0.00 3.52 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 52 A 7.80 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.03 3.93 0.00 1.93 1.88 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.37 3.97 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 55 E 8.41 3.89 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 56 A 8.01 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.01 3.92 0.00 1.86 1.86 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.21 3.85 0.00 2.09 2.08 0.00 3.31 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 59 E 8.14 3.90 0.00 2.35 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 60 A 8.44 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.25 3.97 0.00 1.87 1.73 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.84 4.06 0.00 1.86 1.90 0.81 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.96 4.10 0.00 3.40 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.85 3.86 0.00 1.91 1.83 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.46 3.91 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 66 E 8.10 3.85 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 67 R 8.18 3.66 0.00 1.61 1.64 0.00 2.81 0.00 0.00 2.81 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.50 0.00 68 A 7.53 4.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.52 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.84 4.11 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.19 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 71 E 7.64 4.85 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 72 P 0.00 4.46 0.00 2.11 2.15 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 73 E 8.18 3.99 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 74 E 8.31 4.33 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 75 P 0.00 4.38 0.00 2.20 2.10 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 76 Y 7.87 4.03 0.00 2.85 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 W 7.28 4.60 0.00 3.61 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.15 4.13 0.00 2.01 1.99 0.00 3.16 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 79 G 8.18 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.12 3.78 0.00 1.05 1.71 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.07 3.92 0.00 1.94 1.80 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.17 3.93 0.00 1.93 1.79 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.64 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.91 3.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 85 E 8.34 4.15 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 86 A 7.54 4.26 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *88 E 8.40 4.26 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 89 G 8.18 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.91 3.97 0.00 1.89 1.99 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 91 L 7.86 3.95 0.00 1.75 1.84 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.38 3.94 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.60 7.81 93 A 7.92 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.01 3.88 0.00 1.88 1.88 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.21 3.85 0.00 1.90 2.05 0.00 3.44 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 96 A 8.21 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.33 3.92 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 98 A 7.96 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.68 3.90 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 100 A 8.18 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.94 3.89 0.00 1.82 1.91 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.22 4.12 0.00 3.18 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.42 3.95 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.81 0.00 104 D 8.55 4.41 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.04 3.92 0.00 1.73 1.65 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 106 D 7.59 4.19 0.00 2.59 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.93 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.51 3.94 0.00 1.79 1.91 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.18 4.11 0.00 3.32 3.46 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.98 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.99 3.96 0.00 1.85 2.00 0.00 3.29 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 112 L 7.93 4.04 0.00 1.96 1.62 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.61 4.37 0.00 3.18 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.63 4.05 0.00 1.96 2.10 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 115 L 8.10 4.00 0.00 1.34 0.95 0.84 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 116 F 7.86 4.94 0.00 3.13 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.55 0.00 2.05 1.98 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.